4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one

C20H20N2O6 — CID 54695992

IUPAC4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)ccc1O
InChIInChI=1S/C20H20N2O6/c1-9-6-13(24)17(19(26)21-9)16(11-4-5-12(23)15(8-11)28-3)18-14(25)7-10(2)22-20(18)27/h4-8,16,23H,1-3H3,(H2,21,24,26)(H2,22,25,27)
InChIKeyRZFUETQYVXYFEP-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.99
Rot. Bonds4

About 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one

4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54695992) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID54695992
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)ccc1O
InChIInChI=1S/C20H20N2O6/c1-9-6-13(24)17(19(26)21-9)16(11-4-5-12(23)15(8-11)28-3)18-14(25)7-10(2)22-20(18)27/h4-8,16,23H,1-3H3,(H2,21,24,26)(H2,22,25,27)
InChIKeyRZFUETQYVXYFEP-UHFFFAOYSA-N
XLogP1.99
TPSA135.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

n-Dihydroferuloyltyramine
CID 16119667
2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3651160
4-(4-Hydroxy-3-methoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 3840867
Diallyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2892029
4-[(3-Ethoxy-4-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3154563
9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1533841
Methyl 7-[3,4-bis(methyloxy)phenyl]-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3139511
Methylethyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
CID 3139535
Methylpropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,6, 7,8-pentahydroquinoline-3-carboxylate
CID 3141205
Propyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3141210
Ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3124301
1,4-Dihydro-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester
CID 619869

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one (CID 54695992) is 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one is COc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is RZFUETQYVXYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-9-6-13(24)17(19(26)21-9)16(11-4-5-12(23)15(8-11)28-3)18-14(25)7-10(2)22-20(18)27/h4-8,16,23H,1-3H3,(H2,21,24,26)(H2,22,25,27).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 384.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54695992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).